4-chloro-5-methyl-1H-pyridazin-6-one

C5H5ClN2O — CID 19081409

IUPAC4-chloro-5-methyl-1H-pyridazin-6-one
SMILESCc1c(Cl)cn[nH]c1=O
InChIInChI=1S/C5H5ClN2O/c1-3-4(6)2-7-8-5(3)9/h2H,1H3,(H,8,9)
InChIKeyKFYSTBCKLBQPON-UHFFFAOYSA-N
MW144.56 g/mol
LogP0.73
Rot. Bonds

About 4-chloro-5-methyl-1H-pyridazin-6-one

4-chloro-5-methyl-1H-pyridazin-6-one (PubChem CID 19081409) has the molecular formula C5H5ClN2O and a molecular weight of 144.56 g/mol. Its IUPAC name is 4-chloro-5-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-chloro-5-methyl-1H-pyridazin-6-one
PubChem CID19081409
Molecular FormulaC5H5ClN2O
Molecular Weight144.56 g/mol
Exact Mass144.01
IUPAC Name4-chloro-5-methyl-1H-pyridazin-6-one
SMILESCc1c(Cl)cn[nH]c1=O
InChIInChI=1S/C5H5ClN2O/c1-3-4(6)2-7-8-5(3)9/h2H,1H3,(H,8,9)
InChIKeyKFYSTBCKLBQPON-UHFFFAOYSA-N
XLogP0.73
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.56
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-1H-pyridazin-6-one?
The IUPAC name of 4-chloro-5-methyl-1H-pyridazin-6-one (CID 19081409) is 4-chloro-5-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-chloro-5-methyl-1H-pyridazin-6-one?
The canonical SMILES for 4-chloro-5-methyl-1H-pyridazin-6-one is Cc1c(Cl)cn[nH]c1=O.
What is the InChIKey of 4-chloro-5-methyl-1H-pyridazin-6-one?
The InChIKey is KFYSTBCKLBQPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O/c1-3-4(6)2-7-8-5(3)9/h2H,1H3,(H,8,9).
What are the key properties of 4-chloro-5-methyl-1H-pyridazin-6-one?
4-chloro-5-methyl-1H-pyridazin-6-one has a molecular weight of 144.56 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 19081409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).